中国物理B ›› 2007, Vol. 16 ›› Issue (3): 788-794.doi: 10.1088/1009-1963/16/3/038

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Composition-induced structural modifications in the quaternary CuIn1-xGaxSe2 thin films:bond properties versus Ga content

刘洪图1, 徐传明2, 孙云2, 李凤岩2, 张力2, 薛玉明2, 何青2   

  1. (1)Department of Physics, University of Science and Technology of China, Hefei 230026, China; (2)Institute of Photoelectronics, Nankai University, Tianjin 300071, China
  • 收稿日期:2006-01-23 修回日期:2006-07-10 出版日期:2007-03-20 发布日期:2007-03-20
  • 基金资助:
    Project supported by China Postdoctoral Science Foundation (Grant No 2005037539), and the National High-Tech Research and Development Programm of China (Grant No 2004AA513020).

Composition-induced structural modifications in the quaternary CuIn1-xGaxSe2 thin films:bond properties versus Ga content

Xu Chuan-Ming(徐传明)a)†, Sun Yun(孙云)a), Li Feng-Yan(李凤岩)a), Zhang Li(张力)a), Xue Yu-Ming(薛玉明)a), He Qing(何青)a), and Liu Hong-Tu(刘洪图)b)   

  1. a Institute of Photoelectronics, Nankai University, Tianjin 300071, China; b Department of Physics, University of Science and Technology of China, Hefei 230026, China
  • Received:2006-01-23 Revised:2006-07-10 Online:2007-03-20 Published:2007-03-20
  • Supported by:
    Project supported by China Postdoctoral Science Foundation (Grant No 2005037539), and the National High-Tech Research and Development Programm of China (Grant No 2004AA513020).

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摘要： In this paper the dependence of structural properties of the quaternary CuIn1-xGaxSe2 films with tetragonal structure on the Ga content has been systematically investigated by Raman scattering and x-ray diffraction spectra. The shift of the dominant Ax mode, unlike the lattice constants, does not follow the linear Vegard law with increasing Ga content x, whereas exhibits approximately polynomial change from 174\,cm-1 for CuInSe2 to 185cm-1 for CuGaSe2. Such behaviour should be indicative of presence of the asymmetric distribution of Ga and In on a microscopic scale in the films, due to Ga addition. The changes in the tetragonal distortion \eta lead to a significant variation in the anion displacement parameter U, which should be responsible for the evolution of bond parameters and resultant Raman bands with x.

关键词: chalcopyrite compounds, CuIn1-xGaxSe2 films, anion displacement, Raman scattering

Abstract: In this paper the dependence of structural properties of the quaternary CuIn1-xGaxSe2 films with tetragonal structure on the Ga content has been systematically investigated by Raman scattering and x-ray diffraction spectra. The shift of the dominant A1 mode, unlike the lattice constants, does not follow the linear Vegard law with increasing Ga content x, whereas exhibits approximately polynomial change from 174 cm-1 for CuInSe2 to 185cm-1 for CuGaSe2. Such behaviour should be indicative of presence of the asymmetric distribution of Ga and In on a microscopic scale in the films, due to Ga addition. The changes in the tetragonal distortion $\eta$ lead to a significant variation in the anion displacement parameter $U$, which should be responsible for the evolution of bond parameters and resultant Raman bands with $x$.

Key words: chalcopyrite compounds, CuIn1-xGaxSe2 films, anion displacement, Raman scattering

中图分类号:  (Thin film structure and morphology)

  • 68.55.-a
68.55.Nq (Composition and phase identification) 78.30.Hv (Other nonmetallic inorganics) 78.66.Li (Other semiconductors)